Chemical ID: 6042762

Cc1ccc(cc1)NC(=O)c2ccc(o2)CN3c4cc(ccc4OCC3=O)C
Chemical ID:
6042762
Name [?]:
5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(o2)CN3c4cc(ccc4OCC3=O)C
InChi [?]:
InChI=1/C22H20N2O4/c1-14-3-6-16(7-4-14)23-22(26)20-10-8-17(28-20)12-24-18-11-15(2)5-9-19(18)27-13-21(24)25/h3-11H,12-13H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,21,4,6,13,22,12,19,16,25,2,20,5,14,18,23,11,26,9,8,17,27,10,24,15/E:(3,4)(6,7)/rA:28nCCCCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3649
Area:589.63
Solvation:-4.37585
Coulombic:-55.4144
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.405
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):3.08

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Descriptor Annotations

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